2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide

C17H20N4OS — CID 2109154

IUPAC2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C17H20N4OS/c1-3-11(4-2)16-20-21-17(23-16)19-15(22)9-12-10-18-14-8-6-5-7-13(12)14/h5-8,10-11,18H,3-4,9H2,1-2H3,(H,19,21,22)
InChIKeyFZLHFXOEEUQHCY-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.10
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2109154) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2109154
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C17H20N4OS/c1-3-11(4-2)16-20-21-17(23-16)19-15(22)9-12-10-18-14-8-6-5-7-13(12)14/h5-8,10-11,18H,3-4,9H2,1-2H3,(H,19,21,22)
InChIKeyFZLHFXOEEUQHCY-UHFFFAOYSA-N
XLogP4.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 2109154) is 2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is CCC(CC)c1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is FZLHFXOEEUQHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-3-11(4-2)16-20-21-17(23-16)19-15(22)9-12-10-18-14-8-6-5-7-13(12)14/h5-8,10-11,18H,3-4,9H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 328.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2109154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).